10967/121 - QDB Compounds

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Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.

Compound

ID:PCDF-024
Name:1,2,7-trichlorodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H5Cl3O/c13-6-1-2-7-10(5-6)16-9-4-3-8(14)12(15)11(7)9/h1-5H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.25327237172427

Eq.2: GA-PLS model (Test set)

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